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Compound Detail

CHEMBL6067754

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Cc1c(-c2ncnc3c2ccn3[C@@H]2C[C@H](C)[C@@H](O)C2)[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL6067754
Phase Preclinical
Structure Type MOL
InChI Key KUIVKBPTAINLKB-WRSAYESZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.22
ALogP
4
HBA
2
HBD
66.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O
MW 346.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.25

Activity Summary

IC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin-like modifier-activating enzyme 6
CHEMBL2321622
IC50 5.99 5.99 1025.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine